2-[3-[5-(phenoxymethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride

Systemtic Name: 2-[3-[5-(phenoxymethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride Openeye Name: 2-[3-[5-(phenoxymethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride CAS Name: 2-[3-[5-(phenoxymethyl)-2-phenyl-3-pyrazolyl]-1-pyridin-1-iumyl]-1-phenylethanone chloride IUPAC Name: 2-[3-[5-(phenoxymethyl)-2-phenylpyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenylethanone chloride Traditional Name: 2-[3-[5-(phenoxymethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride Formula: C29H24ClN3O2 MolecularWeight: 481.97276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C3=CC(=NN3C4=CC=CC=C4)COC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C3=CC(=NN3C4=CC=CC=C4)COC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C29H24N3O2.ClH/c33-29(23-11-4-1-5-12-23)21-31-18-10-13-24(20-31)28-19-25(22-34-27-16-8-3-9-17-27)30-32(28)26-14-6-2-7-15-26;/h1-20H,21-22H2;1H/q+1;/p-1